31252-42-3

• 常用中文名：4-苄基哌啶
• 常用英文名：4-Benzylpiperidine
• CAS号：31252-42-3
• 分子式：C₁₂H₁₇N
• 分子量：175.27000
• 相关类别： 香精与香料 合成香料 内酯和含氧杂环化合物 噻唑、噻吩和吡啶类
• 发布时间：2018-07-12 19:39:12
• 更新时间：2024-01-02 09:41:17
• 下载msds

名称

• 中文名: 4-苄基哌啶
• 英文名: 4-benzylpiperidine
• 中文别名: α-(4-哌啶基)甲苯
• 英文别名: 4-Benzyl-piperidine; 4-benzylpiperazine; 4-benzylpyperidine; 4-(phenylmethyl)piperidine; 4-Benzylpiperidine; Piperidine,4-(phenylmethyl); Piperidine,4-benzyl; EINECS 250-535-0; MFCD00006006; Phenyl(4-piperidyl)methane; α-(4-Piperidyl)toluene

物化性质

• 密度: 0.997 g/mL at 25 °C(lit.)
• 沸点: 279 °C(lit.)
• 熔点: 6-7 °C(lit.)
• 分子式: C₁₂H₁₇N
• 分子量: 175.27000
• 闪点: >230 °F
• 精确质量: 175.13600
• PSA: 12.03000
• LogP: 2.55750
• 折射率: n20/D 1.537(lit.)
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.5

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积12

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:132

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无色至黄色的粘性液体

  2. 密度（g/mL,25℃）：0.997

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：6-7

  5. 沸点（ºC,常压）：278-280

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：n20/D 1.537

  8. 闪点（ºC）：>110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 4-Benzylpiperidine 98% Material Safety Data Sheet Synonym: None known CAS: 31252-42-3 Section 1 - Chemical Product MSDS Name:4-Benzylpiperidine 98% Material Safety Data Sheet Synonym:None known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 31252-42-3 Piperidine, 4-(phenylmethyl)- 98 250-535-0 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 31252-42-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear, colorless Odor: benzene-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 279 deg C @ 760.00mm Hg Freezing/Melting Point: 6.00 - 7.00 deg C Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .9970g/cm3 Molecular Formula: C12H17N Molecular Weight: 175.27 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 31252-42-3: TM4728000 LD50/LC50: Not available. Carcinogenicity: Piperidine, 4-(phenylmethyl)- - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 31252-42-3: 2 Canada CAS# 31252-42-3 is listed on Canada's NDSL List. CAS# 31252-42-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 31252-42-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : TM4728000 CHEMICAL NAME : Piperidine, 4-benzyl- CAS REGISTRY NUMBER : 31252-42-3 BEILSTEIN REFERENCE NO. : 0132339 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C12-H17-N MOLECULAR WEIGHT : 175.30 WISWESSER LINE NOTATION : T6MTJ D1R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01587

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: TM4728000
• 海关编码: 2933399090

合成路线

205641-99-2 ~96% 31252-42-3

文献：Nandi, Partha; Redko, Mikhail Y.; Petersen, Kathryn; Dye, James L.; Lefenfeld, Michael; Vogt, Paul F.; Jackson, James E. Organic Letters, 2008 , vol. 10, # 23 p. 5441 - 5444

2116-65-6 ~% 31252-42-3

文献：Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 34, p. 511 Chem. Zentralbl., , vol. 73, # II p. 597

544478-05-9 ~92% 31252-42-3

文献：Behloul, Cherif; Guijarro, David; Yus, Miguel Synthesis, 2004 , # 8 p. 1274 - 1280

15104-07-1 ~89% 31252-42-3

文献：Kano, Shinzo; Tanaka, Yasuyuki; Sugino, Eiichi; Shibuya, Shiroshi; Hibino, Satoshi Synthesis, 1980 , # 9 p. 741 - 742

132251-82-2 ~89% 31252-42-3

文献：Nandi, Partha; Redko, Mikhail Y.; Petersen, Kathryn; Dye, James L.; Lefenfeld, Michael; Vogt, Paul F.; Jackson, James E. Organic Letters, 2008 , vol. 10, # 23 p. 5441 - 5444

110-89-4 100-52-7 ~95% 31252-42-3

文献：Alinezhad, Heshmatollah; Tajbakhsh, Mahmood; Salehian, Fatemeh Monatshefte fur Chemie, 2005 , vol. 136, # 12 p. 2029 - 2033

2116-65-6 ~% 78197-28-1 31252-42-3

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 65, p. 793

2116-65-6 64-17-5 ~% 31252-42-3

文献：Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 34, p. 511 Chem. Zentralbl., , vol. 73, # II p. 597

上下游产品

上游产品  6
205641-99-2 2116-65-6 132251-82-2 110-89-4
100-52-7 64-17-5
下游产品  10
203187-19-3 205641-99-2 302799-85-5 622-46-8
132251-82-2 333795-03-2 333795-04-3 3565-03-5
331765-80-1 35133-39-2

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%